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Yohimbine

AlkaPlorer ID: AK001224

Synonym: None

IUPAC Name: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Structure

SMILES: COC(=O)[C@@H]1[C@H]2C[C@H]3C4=C(CCN3C[C@@H]2CC[C@@H]1O)C1=CC=CC=C1N4

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InChI: InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1

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InChIKey: BLGXFZZNTVWLAY-SCYLSFHTSA-N

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Properties Information

Molecule Weight: 354.45

TPSA？: 65.56

MolLogP？: 2.6471

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Potency 14125.4 nM None
Bos taurus Alpha-1a adrenergic receptor Ki 3.6 nM 10.1021/jm00018a001
Bos taurus Alpha-1a adrenergic receptor Ki 200.0 nM 10.1021/jm00375a017
Bos taurus Alpha-1a adrenergic receptor Ki 220.0 nM 10.1021/jm00150a002
Bos taurus Alpha-1a adrenergic receptor Ki 220.0 nM 10.1021/jm00366a007
Bos taurus Alpha-2a adrenergic receptor Ki 49.0 nM 10.1021/jm00150a002
Bos taurus Alpha-2a adrenergic receptor Ki 49.0 nM 10.1021/jm00366a007
Bos taurus Cerebral cortex alpha adrenergic receptor Selectivity ratio 4.5 None 10.1021/jm00366a007
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Caenorhabditis elegans Cytoplasmic zinc-finger protein EC50 300000.0 nM None
Caenorhabditis elegans Zinc finger protein mex-5 EC50 103486.0 nM None
Cavia porcellus Cavia porcellus Kd 12.59 nM 10.1021/jm00106a036
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Electrophorus electricus Acetylcholinesterase IC50 431000.0 nM 10.1021/np960070c
Homo sapiens Acetylcholinesterase AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 14050.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Adrenergic receptor alpha-1 Kd 147.91 nM 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-1 Kd 794.33 nM 10.1021/jm00129a002
Homo sapiens Adrenergic receptor alpha-1 Relative potency 1.0 None 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-2 IC50 8.0 nM 10.1021/jm00390a021
Homo sapiens Adrenergic receptor alpha-2 IC50 36.0 nM 10.1016/j.bmc.2013.03.016
Homo sapiens Adrenergic receptor alpha-2 IC50 58.0 nM 10.1016/j.ejmech.2013.01.044
Homo sapiens Adrenergic receptor alpha-2 IC50 95.0 nM 10.1021/jm058018d
Homo sapiens Adrenergic receptor alpha-2 IC50 170.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 IC50 1800.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 IC50 195000.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 IC50 398000.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 25.7 nM 10.1021/jm00126a042
Homo sapiens Adrenergic receptor alpha-2 Kd 31.62 nM 10.1021/jm00129a002
Homo sapiens Adrenergic receptor alpha-2 Kd 43.65 nM 10.1021/jm00391a015
Homo sapiens Adrenergic receptor alpha-2 Kd 60.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 120.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 2300.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 4800.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 47000.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 62000.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 150000.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Kd 5400000.0 nM 10.1016/0960-894X(96)00406-4
Homo sapiens Adrenergic receptor alpha-2 Ki 0.4 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 0.6 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 0.9 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 1.8 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 3.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 3.8 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 4.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 4.1 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 25.0 nM 10.1016/j.ejmech.2013.01.044
Homo sapiens Adrenergic receptor alpha-2 Ki 33.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 35.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 Ki 70.0 nM 10.1021/jm00018a001
Homo sapiens Adrenergic receptor alpha-2 pC30 8.1 None 10.1021/jm00370a011
Homo sapiens Adrenergic receptor alpha-2 Selectivity 44.7 None 10.1021/jm00360a008
Homo sapiens Alpha-1a adrenergic receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 1202.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 2639.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 6200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor Kd 398.11 nM 10.1021/jm00370a011
Homo sapiens Alpha-1a adrenergic receptor Ki 1057.0 nM 10.1021/jm00019a001
Homo sapiens Alpha-1a adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1b adrenergic receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Alpha-1b adrenergic receptor Inhibition 90.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Alpha-1b adrenergic receptor Ki 1.1 nM 10.1021/jm00018a001
Homo sapiens Alpha-1b adrenergic receptor Ki 7.2 nM 10.1021/jm00018a001
Homo sapiens Alpha-1b adrenergic receptor Ki 966.0 nM 10.1021/jm00019a001
Homo sapiens Alpha-1b adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1d adrenergic receptor IC50 1013.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 1.6 nM 10.1021/jm00018a001
Homo sapiens Alpha-1d adrenergic receptor Ki 289.0 nM 10.1021/jm00019a001
Homo sapiens Alpha-1d adrenergic receptor Ki 498.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2a adrenergic receptor AC50 3.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 5.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 12.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 14.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Alpha-2a adrenergic receptor Activity nan None 10.1038/nchembio705
Homo sapiens Alpha-2a adrenergic receptor EC50 8.5 nM 10.1021/np058114h
Homo sapiens Alpha-2a adrenergic receptor IC50 6.151 nM None
Homo sapiens Alpha-2a adrenergic receptor IC50 8.4 nM 10.1016/j.bmcl.2013.01.025
Homo sapiens Alpha-2a adrenergic receptor Inhibition -5.0 % 10.1016/j.bmcl.2013.01.025
Homo sapiens Alpha-2a adrenergic receptor Inhibition 92.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Alpha-2a adrenergic receptor Inhibition nan % 10.1038/nchembio705
Homo sapiens Alpha-2a adrenergic receptor Ki 0.42 nM 10.1016/s0960-894x(00)00068-8
Homo sapiens Alpha-2a adrenergic receptor Ki 1.4 nM 10.1016/j.bmcl.2005.03.116
Homo sapiens Alpha-2a adrenergic receptor Ki 2.307 nM None
Homo sapiens Alpha-2a adrenergic receptor Ki 3.1 nM 10.1016/j.bmcl.2013.01.025
Homo sapiens Alpha-2a adrenergic receptor Ki 3.1 nM 10.1021/jm990277d
Homo sapiens Alpha-2a adrenergic receptor Ki 3.13 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2a adrenergic receptor Ki 7.5 nM 10.1021/jm00019a001
Homo sapiens Alpha-2b adrenergic receptor AC50 12.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Alpha-2b adrenergic receptor IC50 17.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Inhibition 107.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Alpha-2b adrenergic receptor Ki 1.16 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2b adrenergic receptor Ki 2.01 nM 10.1016/s0960-894x(00)00068-8
Homo sapiens Alpha-2b adrenergic receptor Ki 3.2 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-2b adrenergic receptor Ki 4.6 nM 10.1021/jm00019a001
Homo sapiens Alpha-2b adrenergic receptor Ki 7.1 nM 10.1016/j.bmcl.2005.03.116
Homo sapiens Alpha-2b adrenergic receptor Ki 7.947 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 28.84 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Alpha-2c adrenergic receptor AC50 3.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 36.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 0.5 nM 10.1016/j.ejmech.2014.12.045
Homo sapiens Alpha-2c adrenergic receptor Ki 0.5 nM 10.1021/jm401895u
Homo sapiens Alpha-2c adrenergic receptor Ki 0.8 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2c adrenergic receptor Ki 0.88 nM 10.1016/j.bmcl.2005.03.116
Homo sapiens Alpha-2c adrenergic receptor Ki 2.3 nM 10.1021/jm00019a001
Homo sapiens Alpha-2c adrenergic receptor Ki 5.162 nM None
Homo sapiens Androgen Receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Ataxin-2 Potency 22387.2 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 254000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Inhibition 35.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Cannabinoid CB2 receptor Inhibition 20.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 3 Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens C-C chemokine receptor type 3 Inhibition -13.0 % 10.1016/j.bmc.2020.115546
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens C-C chemokine receptor type 8 Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens C-C chemokine receptor type 8 Inhibition 5.0 % 10.1016/j.bmc.2020.115546
Homo sapiens C-C chemokine receptor type 8 Inhibition 5.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Cerebroside-sulfatase Potency 2393.4 nM None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens C-X3-C chemokine receptor 1 Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens C-X3-C chemokine receptor 1 Inhibition 22.0 % 10.1016/j.bmc.2020.115546
Homo sapiens C-X-C chemokine receptor type 4 Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens C-X-C chemokine receptor type 4 Inhibition 21.0 % 10.1016/j.bmc.2020.115546
Homo sapiens C-X-C chemokine receptor type 4 Inhibition 21.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Cyclooxygenase-1 AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 8.4 nM 10.1021/jm049934e
Homo sapiens Cytochrome P450 2D6 IC50 2031.7 nM None
Homo sapiens Cytochrome P450 2D6 Ki 140.0 nM 10.1021/jm00061a004
Homo sapiens Cytochrome P450 2D6 Ki 180.0 nM 10.1021/jm00061a004
Homo sapiens Cytochrome P450 2D6 Ki 180.0 nM 10.1021/jm049934e
Homo sapiens Cytochrome P450 2D6 Ki 190.0 nM 10.1021/jm00061a004
Homo sapiens Cytochrome P450 2D6 Ki 230.0 nM 10.1021/jm00061a004
Homo sapiens Cytochrome P450 2D6 Ki 520.0 nM 10.1021/jm00061a004
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA topoisomerase I Activity nan None 10.1021/np058007n
Homo sapiens DNA topoisomerase I IC50 30000.0 nM 10.1021/np058007n
Homo sapiens Dopamine D1 receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 2000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 2200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D1 receptor Potency 2909.1 nM None
Homo sapiens Dopamine D1 receptor Potency 17782.8 nM None
Homo sapiens Dopamine D2 receptor AC50 188.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 2545.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Dopamine D2 receptor IC50 2060.0 nM None
Homo sapiens Dopamine D2 receptor Inhibition 102.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Dopamine D2 receptor Inhibition 102.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Dopamine D2 receptor Ki 687.0 nM None
Homo sapiens Dopamine D3 receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 2000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 20000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Dual specificity phosphatase Cdc25A IC50 22300.0 nM 10.1021/jm300288g
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Follicle stimulating hormone receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Follicle stimulating hormone receptor Inhibition 4.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Formyl peptide receptor 1 Inhibition -6.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 4100.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucose-dependent insulinotropic receptor Inhibition 8.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens HERG AC50 29148.8 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Inhibition 30.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 19404.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone acetyltransferase GCN5 Potency 31622.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 21192.3 nM None
Homo sapiens HL-60 Activity nan None 10.1021/np058007n
Homo sapiens HL-60 IC50 84000.0 nM 10.1021/np058007n
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens IC50 1100.0 nM 10.1021/jm00166a009
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 112201.8 nM None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens Liver microsomes CL 34.4 mL.min-1.g-1 10.1016/j.bmcl.2011.12.005
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Monoamine oxidase A AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Inhibition 4.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide S receptor Inhibition -3.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 20000.0 nM 10.1021/jm9506433
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Orexin receptor 2 Inhibition 9.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Oxytocin receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Oxytocin receptor Inhibition 5.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 35481.3 nM None
Homo sapiens P-glycoprotein 1 % maximum response 4.23 % None
Homo sapiens P-glycoprotein 1 Papp 429.0 nm/s None
Homo sapiens P-glycoprotein 1 Papp 501.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 1.05 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 1.17 None None
Homo sapiens Phosphodiesterase 3A AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Progesterone receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prolactin-releasing peptide receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Prolactin-releasing peptide receptor Inhibition 1.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Prolactin-releasing peptide receptor Inhibition 1.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Prostanoid IP receptor Inhibition 8.0 % 10.1021/acs.jmedchem.9b01924
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 2117.2 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 14689.2 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 66.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 75.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 240.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 644.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1b (5-HT1b) receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Serotonin 1b (5-HT1b) receptor Inhibition 86.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 2400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 6247.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 86.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 260.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 74.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 47.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Inhibition 1.0 % 10.1016/j.bmc.2020.115546
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor AC50 691.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 1689.0 nM None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 784.0 nM None
Homo sapiens Serotonin receptor (2b and 2c) Ratio 83.0 None 10.1021/jm960062t
Homo sapiens Serotonin transporter AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) IC50 33000.0 nM 10.1021/jm00381a019
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) Inhibition 25.6 % 10.1021/jm00381a019
Homo sapiens Thrombin AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 9441.1 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor Activity nan None 10.1016/j.bmc.2020.115546
Homo sapiens Vasopressin V2 receptor Inhibition -1.0 % 10.1016/j.bmc.2020.115546
Mus musculus Alpha-2 adrenergic receptor Kd 10.47 nM 10.1021/jm00371a003
Mus musculus Alpha-2 adrenergic receptor Ki 0.6 nM 10.1021/jm00018a001
Mus musculus Alpha-2 adrenergic receptor Ki 3.8 nM 10.1021/jm00018a001
Mus musculus Alpha-2 adrenergic receptor Ki 54.0 nM 10.1021/jm00018a001
Mus musculus Mus musculus Activity 15.8 None 10.1021/jm060743g
Mus musculus Mus musculus Activity 27.8 None 10.1021/jm060743g
Mus musculus Mus musculus Activity 28.5 None 10.1021/jm060743g
Mus musculus Mus musculus Activity 31.7 None 10.1021/jm070161e
Mus musculus Mus musculus Activity 35.9 None 10.1021/jm060743g
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2012.02.016
Mus musculus Mus musculus Activity nan None 10.1021/ml300064v
Mus musculus Mus musculus ED50 0.56 mg.kg-1 10.1021/jm991121g
Mus musculus Mus musculus ED50 0.6 mg.kg-1 10.1021/jm00392a005
Mus musculus Mus musculus ED50 1.23 mg.kg-1 10.1021/jm991121g
Mus musculus Mus musculus ED50 8.0 mg.kg-1 10.1021/jm9506433
Mus musculus Mus musculus Response nan None 10.1021/jm9506433
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Serotonin 2c (5-HT2c) receptor Ki 10000.0 nM 10.1021/jm960062t
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Oryctolagus cuniculus Kb 4000.0 nM 10.1021/jm00363a002
Plasmodium falciparum Plasmodium falciparum EC50 50000.0 nM 10.1016/j.ejmech.2021.113536
Rattus norvegicus Acetylcholinesterase IC50 nan nM 10.1021/jm9506433
Rattus norvegicus Adenosine A2b receptor -Log KB 7.77 None 10.1021/jm960062t
Rattus norvegicus Adrenergic receptor alpha Ratio 10.0 None 10.1021/jm00402a029
Rattus norvegicus Adrenergic receptor alpha Selectivity 4.7 None 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha Selectivity index -1.11 None 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha Selectivity index -0.89 None 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha Selectivity ratio 14.0 None 10.1021/jm00366a007
Rattus norvegicus Adrenergic receptor alpha Selectivity ratio 32.0 None 10.1021/jm00106a036
Rattus norvegicus Adrenergic receptor alpha Selectivity ratio 32.0 None 10.1021/jm00164a021
Rattus norvegicus Adrenergic receptor alpha-1 IC50 1000.0 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-1 IC50 1300.0 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 IC50 1580.0 nM 10.1021/jm991121g
Rattus norvegicus Adrenergic receptor alpha-1 Kd 7.244 nM 10.1021/jm00360a008
Rattus norvegicus Adrenergic receptor alpha-1 Kd 89.13 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-1 Kd 263.03 nM 10.1021/jm00402a029
Rattus norvegicus Adrenergic receptor alpha-1 Kd 302.0 nM 10.1021/jm00366a007
Rattus norvegicus Adrenergic receptor alpha-1 Kd 302.0 nM 10.1021/jm00371a003
Rattus norvegicus Adrenergic receptor alpha-1 Kd 302.0 nM 10.1021/jm00375a017
Rattus norvegicus Adrenergic receptor alpha-1 Kd 323.59 nM 10.1021/jm00360a008
Rattus norvegicus Adrenergic receptor alpha-1 Kd 346.74 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-1 Kd 616.6 nM 10.1021/jm00348a012
Rattus norvegicus Adrenergic receptor alpha-1 Kd 630.96 nM 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-1 Kd 1905.46 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-1 Ki 360.0 nM 10.1021/jm00158a013
Rattus norvegicus Adrenergic receptor alpha-1 Ki 398.11 nM 10.1021/jm00106a036
Rattus norvegicus Adrenergic receptor alpha-1 Ki 398.11 nM 10.1021/jm00129a002
Rattus norvegicus Adrenergic receptor alpha-1 Ki 398.11 nM 10.1021/jm00164a021
Rattus norvegicus Adrenergic receptor alpha-1 Ratio 0.032 None 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-2 AD50 1.04 mg kg-1 10.1021/jm00366a007
Rattus norvegicus Adrenergic receptor alpha-2 IC50 9.1 nM 10.1021/jm00126a042
Rattus norvegicus Adrenergic receptor alpha-2 IC50 30.0 nM 10.1021/jm960087s
Rattus norvegicus Adrenergic receptor alpha-2 IC50 30.0 nM 10.1021/jm9604538
Rattus norvegicus Adrenergic receptor alpha-2 IC50 58.0 nM 10.1016/j.bmc.2010.07.034
Rattus norvegicus Adrenergic receptor alpha-2 IC50 67.0 nM 10.1021/jm991121g
Rattus norvegicus Adrenergic receptor alpha-2 IC50 96.0 nM 10.1016/j.bmc.2016.03.006
Rattus norvegicus Adrenergic receptor alpha-2 IC50 96.0 nM 10.1016/j.bmc.2016.11.014
Rattus norvegicus Adrenergic receptor alpha-2 IC50 165.0 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-2 ID50 0.185 mg.kg-1 10.1021/jm00106a036
Rattus norvegicus Adrenergic receptor alpha-2 ID50 2.8 mg.kg-1 10.1021/jm00106a036
Rattus norvegicus Adrenergic receptor alpha-2 Kd 12.3 nM 10.1021/jm00391a034
Rattus norvegicus Adrenergic receptor alpha-2 Kd 12.3 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Kd 19.05 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-2 Kd 19.5 nM 10.1021/jm00348a012
Rattus norvegicus Adrenergic receptor alpha-2 Kd 19.95 nM 10.1021/jm00143a012
Rattus norvegicus Adrenergic receptor alpha-2 Kd 22.39 nM 10.1021/jm00366a007
Rattus norvegicus Adrenergic receptor alpha-2 Kd 22.39 nM 10.1021/jm00375a017
Rattus norvegicus Adrenergic receptor alpha-2 Kd 25.7 nM 10.1021/jm00391a015
Rattus norvegicus Adrenergic receptor alpha-2 Kd 26.3 nM 10.1021/jm00402a029
Rattus norvegicus Adrenergic receptor alpha-2 Kd 123.03 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Kd 147.91 nM 10.1021/jm00370a011
Rattus norvegicus Adrenergic receptor alpha-2 Ki 0.6 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 2.4 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 5.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 8.7 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 10.0 nM 10.1021/jm00150a002
Rattus norvegicus Adrenergic receptor alpha-2 Ki 12.59 nM 10.1021/jm00106a036
Rattus norvegicus Adrenergic receptor alpha-2 Ki 12.59 nM 10.1021/jm00129a002
Rattus norvegicus Adrenergic receptor alpha-2 Ki 12.59 nM 10.1021/jm00164a021
Rattus norvegicus Adrenergic receptor alpha-2 Ki 45.0 nM 10.1021/jm00158a013
Rattus norvegicus Adrenergic receptor alpha-2 Ki 48.0 nM 10.1021/jm00158a013
Rattus norvegicus Adrenergic receptor alpha-2 Ki 52.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 54.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 56.23 nM 10.1021/jm00164a021
Rattus norvegicus Adrenergic receptor alpha-2 Ki 78.0 nM 10.1021/jm00391a034
Rattus norvegicus Adrenergic receptor alpha-2 Ki 84.0 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Ki 104.0 nM 10.1021/jm00018a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 150.0 nM 10.1021/jm00354a001
Rattus norvegicus Adrenergic receptor alpha-2 Ki 190.0 nM 10.1021/jm00392a005
Rattus norvegicus Adrenergic receptor alpha-2 Ratio 0.2 None 10.1021/jm00164a021
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 1235.0 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 500.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 1188.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 658.0 nM None
Rattus norvegicus Alpha-1d adrenergic receptor Ki 52.0 nM 10.1021/jm00018a001
Rattus norvegicus Alpha-2b adrenergic receptor Ki 2.0 nM 10.1021/jm990277d
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Dopamine D2 receptor IC50 1125.0 nM 10.1021/jm991121g
Rattus norvegicus Dopamine D3 receptor Ki 2430.0 nM 10.1021/jm00062a025
Rattus norvegicus Dopamine receptor Ki 2000.0 nM 10.1021/jm00158a013
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Muscarinic acetylcholine receptor IC50 nan nM 10.1021/jm9506433
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus ED50 1.04 mg.kg-1 10.1021/jm00150a002
Rattus norvegicus Rattus norvegicus ID50 0.185 mg.kg-1 10.1021/jm00129a002
Rattus norvegicus Rattus norvegicus ID50 2.8 mg.kg-1 10.1021/jm00129a002
Rattus norvegicus Rattus norvegicus Kd 22.39 nM 10.1021/jm00150a002
Rattus norvegicus Rattus norvegicus Kd 302.0 nM 10.1021/jm00150a002
Rattus norvegicus Rattus norvegicus Ki 505.0 nM 10.1021/jm00054a005
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 126.0 nM None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 72.0 nM None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 1621.81 nM 10.1021/jm960062t
Rattus norvegicus Serotonin 2a (5-HT2a) receptor -Log KB 6.37 None 10.1021/jm960062t
Rattus norvegicus Serotonin 2b (5-HT2b) receptor Inhibition nan % 10.1007/s00044-005-0125-z
Rattus norvegicus Serotonin 2b (5-HT2b) receptor -Log KB 6.92 None 10.1021/jm960062t
Rattus norvegicus Serotonin 2b (5-HT2b) receptor pKb 7.74 None 10.1007/s00044-005-0125-z
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit Ki 45.0 nM 10.1021/jm00019a001
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 23109.3 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Sus scrofa Alpha-2a adrenergic receptor Ki 4.4 nM 10.1021/jm00018a001
None ADMET Binding energy 11.9 kCal mol-1 10.1021/jm00378a021
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None No relevant target LogD7.4 1.65 None 10.6019/CHEMBL3301361
None No relevant target Log Kmemb 0.5 None 10.1021/jm0309001
None Unchecked Ac50 0.631 uM None
None Unchecked Ac50 0.7079 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 631.0 nM None
None Unchecked AC50 707.9 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity nan None 10.1016/j.bmc.2020.115546
None Unchecked Activity nan None 10.1021/np058007n
None Unchecked EC50 110000.0 nM None
None Unchecked Hill coefficient 0.97 None 10.1021/jm00062a025
None Unchecked IC50 38.0 nM 10.1021/jm701575k
None Unchecked IC50 100.0 nM 10.1021/jm8007618
None Unchecked IC50 157.0 nM None
None Unchecked IC50 125000.0 nM 10.1021/np058007n
None Unchecked IC50 nan None None
None Unchecked Inhibition -3.0 % 10.1016/j.bmc.2020.115546
None Unchecked Kb 100.0 nM 10.1016/j.bmc.2008.02.091
None Unchecked Kb 300.0 nM 10.1016/j.bmc.2008.02.091
None Unchecked Ki 33.0 nM 10.1021/jm2006782
None Unchecked Ki 43.0 nM 10.1021/jm8007618
None Unchecked Ki 49.0 nM 10.1021/jm00375a017
None Unchecked Ki 105.0 nM None
None Unchecked Ki nan None None
None Unchecked Potency 316.2 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Ratio 13.5 None 10.1021/jm960062t
None Unchecked Ratio 15.0 None 10.1021/jm00129a002
None Unchecked Ratio 29.0 None 10.1021/jm00371a003
None Unchecked Selectivity 4.8 None 10.1016/s0960-894x(00)00068-8
None Unchecked Selectivity 14.0 None 10.1021/jm00150a002
None Unchecked Selectivity 22.0 None 10.1021/jm00150a002
None Unchecked Selectivity 25.0 None 10.1021/jm00129a002
None Unchecked Selectivity 32.0 None 10.1021/jm00129a002
None Unchecked Selectivity index -1.7 None 10.1021/jm00370a011
None Unchecked Selectivity ratio 4.5 None 10.1021/jm00375a017
None Unchecked Selectivity ratio 14.0 None 10.1021/jm00375a017
None Unchecked Selectivity ratio 31.6 None 10.1021/jm00348a012

Metabolism Information